Information card for entry 4512190

Structure parameters

• Formula: C7 H6 Cu Mo2 N4 O7
• Calculated formula: C7 H6 Cu Mo2 N4 O7
• Title of publication: Planar Cu2(ppz)2Dimers as SBUs for Diverse Polyoxometalate-Based Metal Organic Frameworks
• Authors of publication: Qi, Zhi-Kai; Liu, Jun-Liang; Hou, Juan-Juan; Liu, Min-Min; Zhang, Xian-Ming
• Journal of publication: Crystal Growth & Design
• Year of publication: 2014
• Journal volume: 14
• Journal issue: 11
• Pages of publication: 5773
• a: 5.129 ± 0.0003 Å
• b: 9.7697 ± 0.0008 Å
• c: 12.5421 ± 0.0011 Å
• α: 110.797 ± 0.008°
• β: 93.722 ± 0.006°
• γ: 90.436 ± 0.006°
• Cell volume: 585.97 ± 0.08 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0456
• Residual factor for significantly intense reflections: 0.0363
• Weighted residual factors for significantly intense reflections: 0.0822
• Weighted residual factors for all reflections included in the refinement: 0.0893
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No